Journal of Synthetic Crystals, Volume. 50, Issue 2, 338(2021)

Crystal Structure and Density Functional Theory of 2,2-Bis(4-Chloro-2-Fluorobenzyl) Diethyl Malonate

REN Qian1,2, LIU Ye1,2, GAO Ting3, ZHOU Zhixu1,2, ZHAO Chunshen1,2, and CHAI Huifang3
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • 3[in Chinese]
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    References(12)

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    [12] [12] CIVALLERI B, ZICOVICH-WILSON C M, VALENZANO L, et al. B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals[J]. CrystEngComm, 2008, 10(4): 405-410.

    [13] [13] TIRADO-RIVES J, JORGENSEN W L. Performance of B3LYP density functional methods for a large set of organic molecules[J]. Journal of Chemical Theory and Computation, 2008, 4(2): 297-306.

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    REN Qian, LIU Ye, GAO Ting, ZHOU Zhixu, ZHAO Chunshen, CHAI Huifang. Crystal Structure and Density Functional Theory of 2,2-Bis(4-Chloro-2-Fluorobenzyl) Diethyl Malonate[J]. Journal of Synthetic Crystals, 2021, 50(2): 338

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    Paper Information

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    Received: Oct. 26, 2020

    Accepted: --

    Published Online: Mar. 30, 2021

    The Author Email:

    DOI:

    CSTR:32186.14.

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